4-[[7-[(3-chloranyl-4-fluoranyl-phenyl)amino]-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]amino]-N-[3-(dimethylamino)propyl]benzenesulfonamide

Systemtic Name: 4-[[7-[(3-chloranyl-4-fluoranyl-phenyl)amino]-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]amino]-N-[3-(dimethylamino)propyl]benzenesulfonamide Openeye Name: 4-[[7-(3-chloro-4-fluoro-anilino)thiazolo[4,5-d]pyrimidin-2-yl]amino]-N-[3-(dimethylamino)propyl]benzenesulfonamide CAS Name: 4-[[7-(3-chloro-4-fluoroanilino)-2-thiazolo[4,5-d]pyrimidinyl]amino]-N-[3-(dimethylamino)propyl]benzenesulfonamide IUPAC Name: 4-[[7-(3-chloro-4-fluoroanilino)-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]amino]-N-[3-(dimethylamino)propyl]benzenesulfonamide Traditional Name: 4-[[7-(3-chloro-4-fluoro-anilino)thiazolo[4,5-d]pyrimidin-2-yl]amino]-N-[3-(dimethylamino)propyl]benzenesulfonamide Formula: C22H23ClFN7O2S2 MolecularWeight: 536.045123

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNS(=O)(=O)C1=CC=C(C=C1)NC2=NC3=C(S2)C(=NC=N3)NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

CN(C)CCCNS(=O)(=O)C1=CC=C(C=C1)NC2=NC3=C(S2)C(=NC=N3)NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C22H23ClFN7O2S2/c1-31(2)11-3-10-27-35(32,33)16-7-4-14(5-8-16)29-22-30-21-19(34-22)20(25-13-26-21)28-15-6-9-18(24)17(23)12-15/h4-9,12-13,27H,3,10-11H2,1-2H3,(H2,25,26,28,29,30)